N-Ethyldiethanolamine
Properties
- Molecular formula
- C6H15NO2
- Molar mass
- 133.19 g/mol
- Exact mass
- 133.1103 Da
- Density
- 1.0135 g/mL (at 20 °C)
- Melting point
- −50 °C
- Boiling point
- 247 °C
- Flash point
- 97.8 °C (open cup)
- Water solubility
- miscible (25 °C)
- logP
- -0.71Crippen estimate
- Polar surface area
- 43.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 5
Hazards
Danger
- H315 Causes skin irritation20.7% of notifiers
- H318 Causes serious eye damage56.5% of notifiers
- H319 Causes serious eye irritation23.4% of notifiers
- H335 May cause respiratory irritation20.7% of notifiers
Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
139-87-7SMILES
CCN(CCO)CCOInChIKey
AKNUHUCEWALCOI-UHFFFAOYSA-NInChI
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- Ethanol, 2,2′-(ethylimino)bis-
- Ethanol, 2,2′-(ethylimino)di-
- 2,2′-(Ethylimino)bis[ethanol]
- Ethyldiethanolamine
- N-Ethyl-2,2′-iminodiethanol
- 2,2′-(Ethylimino)diethanol
- Diethanolethylamine
- N,N-Bis(2-hydroxyethyl)ethylamine
- Ethylbis(2-hydroxyethyl)amine
- N-Ethyl-N,N-diethanolamine
- 2-[Ethyl(2-hydroxyethyl)amino]ethanol
- EDEA
- Amino alcohol MED
- 2,2′-(Ethylazanediyl)diethanol
- 2-[Ethyl(2-hydroxyethyl)amino]ethan-1-ol
Work with N-Ethyldiethanolamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Diethylethanolamine100-37-888 % similar
2-(Diethylamino)ethanol hydrochloride14426-20-175 % similar
3-(Diethylamino)-1-propanol622-93-562 % similar
Triethanolamine102-71-659 % similar
1,4-Diethylpiperazine6483-50-759 % similar
1-Aziridineethanol1072-52-256 % similar
1,4-Piperazinediethanol122-96-356 % similar
N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine140-07-856 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
Tetramethylammonium acetate10581-12-1
Diisopropanolamine110-97-4
Bis(2-methoxyethyl)amine111-95-5
2-[2-(Dimethylamino)ethoxy]ethanol1704-62-7
Dimethylacetamide dimethyl acetal18871-66-4
4,4-Dimethoxy-1-butanamine19060-15-2
2,2-Dimethoxy-N,N-dimethylethanamine38711-20-5
Aminoacetaldehyde diethylacetal645-36-3